SCHEMBL2729641

SCHEMBL2729641

CCCCCCCCCCCCCCCC(=O)c1cc2c(C)cc(=O)oc2cc1O.[NaH]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.60
HTT P42858 3/20 0.60
NCOA3 Q9Y6Q9 1/20 0.60
ALDH1A1 P00352 7/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MCL1 Q07820 3/20 0.54
HPGD P15428 4/20 0.54
HSD17B10 Q99714 3/20 0.54
CYP3A4 P08684 1/20 0.54
THRB P10828 1/20 0.54
AKR1B1 P15121 1/20 0.54
ELANE P08246 5/20 0.47
GAA P10253 2/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
CES2 O00748 1/20 0.45
CYP1A2 P05177 1/20 0.45
CASP1 P29466 1/20 0.45
CYP2C19 P33261 1/20 0.45
CASP7 P55210 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL308979 0.99 KDM4E (0.61) KDM4EHTTNCOA3ALDH1A1SMN1; SMN2
SCHEMBL28146940 0.83 HTT (0.44) KDM4EHTTNCOA3ALDH1A1SMN1; SMN2
SCHEMBL321639 0.79 ALDH1A1 (0.83) KDM4EHTTNCOA3ALDH1A1SMN1; SMN2
SCHEMBL31022581 0.79 ALDH1A1 (0.83) KDM4EHTTNCOA3ALDH1A1SMN1; SMN2
SCHEMBL2729633 0.79 ALDH1A1 (0.83) KDM4EHTTNCOA3ALDH1A1SMN1; SMN2
SCHEMBL28061597 0.77 MCL1 (0.72) KDM4EHTTNCOA3ALDH1A1SMN1; SMN2
SCHEMBL8402004 0.77 MCL1 (0.72) KDM4EHTTNCOA3ALDH1A1SMN1; SMN2
SCHEMBL8359452 0.77 MCL1 (0.72) KDM4EHTTNCOA3ALDH1A1SMN1; SMN2
SCHEMBL11442137 0.77 MCL1 (0.72) KDM4EHTTNCOA3ALDH1A1SMN1; SMN2
SCHEMBL12986976 0.76 KDM4E (0.77) KDM4EHTTNCOA3ALDH1A1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130337482-A1 ASSAYS AND KITS TO DETERMINE GALACTOCEREBROSIDASE ACTIVITY ON SOLID SUPPORT SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2013-12-19 US disclosed
EP-2633065-A2 ASSAYS AND KITS TO DETERMINE GALACTOCEREBROSIDASE ACTIVITY ON SOLID SUPPORT Shire Human Genetic Therapies, Inc. (US) 2013-09-04 EP disclosed
WO-2012058625-A2 ASSAYS AND KITS TO DETERMINE GALACTOCEREBROSIDASE ACTIVITY ON SOLID SUPPORT SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2012-05-03 WO disclosed